4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile

C17H14N4O — CID 12063773

IUPAC4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(NC2=N[C@@H](Cc3ccccc3)C(=O)N2)cc1
InChIInChI=1S/C17H14N4O/c18-11-13-6-8-14(9-7-13)19-17-20-15(16(22)21-17)10-12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyCJFITYLUDNCFEG-HNNXBMFYSA-N
MW290.33 g/mol
LogP2.07
Rot. Bonds3

About 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile

4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile (PubChem CID 12063773) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile
PubChem CID12063773
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(NC2=N[C@@H](Cc3ccccc3)C(=O)N2)cc1
InChIInChI=1S/C17H14N4O/c18-11-13-6-8-14(9-7-13)19-17-20-15(16(22)21-17)10-12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyCJFITYLUDNCFEG-HNNXBMFYSA-N
XLogP2.07
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile (CID 12063773) is 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile is N#Cc1ccc(NC2=N[C@@H](Cc3ccccc3)C(=O)N2)cc1.
What is the InChIKey of 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile?
The InChIKey is CJFITYLUDNCFEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-11-13-6-8-14(9-7-13)19-17-20-15(16(22)21-17)10-12-4-2-1-3-5-12/h1-9,15H,10H2,(H2,19,20,21,22)/t15-/m0/s1.
What are the key properties of 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile?
4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-benzyl-5-oxo-1,4-dihydroimidazol-2-yl]amino]benzonitrile is sourced from PubChem (CID 12063773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).